README.txt

Supplemental Information for article "Unveiling the Structure‒Surface Energy Relationship of Zeolites through Machine Learning".

Wulff shapes of 237 zeolite frameworks in the IZA-SC database are given in the SI-Wulff-shapes folder.

These Wulff shapes were determined using the surface hydroxyl density as described in our article, and were plotted using the pymatgen package.

Results constructed from crystal planes with and without considering negative Miller indices are given in the wulff_a and wulff_b folders, respectively.